(2S,4S)-2-(1H-indol-3-yl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

C14H16N2O2S — CID 7200617

IUPAC(2S,4S)-2-(1H-indol-3-yl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC1(C)S[C@@H](c2c[nH]c3ccccc23)N[C@H]1C(=O)O
InChIInChI=1S/C14H16N2O2S/c1-14(2)11(13(17)18)16-12(19-14)9-7-15-10-6-4-3-5-8(9)10/h3-7,11-12,15-16H,1-2H3,(H,17,18)/t11-,12-/m0/s1
InChIKeyRMWNKAGJAGUZQL-RYUDHWBXSA-N
MW276.36 g/mol
LogP2.73
Rot. Bonds2

About (2S,4S)-2-(1H-indol-3-yl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

(2S,4S)-2-(1H-indol-3-yl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 7200617) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is (2S,4S)-2-(1H-indol-3-yl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-2-(1H-indol-3-yl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID7200617
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name(2S,4S)-2-(1H-indol-3-yl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC1(C)S[C@@H](c2c[nH]c3ccccc23)N[C@H]1C(=O)O
InChIInChI=1S/C14H16N2O2S/c1-14(2)11(13(17)18)16-12(19-14)9-7-15-10-6-4-3-5-8(9)10/h3-7,11-12,15-16H,1-2H3,(H,17,18)/t11-,12-/m0/s1
InChIKeyRMWNKAGJAGUZQL-RYUDHWBXSA-N
XLogP2.73
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4S)-5,5-dimethyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazolidine-4-carboxylic acid
CID 95970066
(2R,4S)-2-(2-hydroxyphenyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
CID 23241428
2-dibenzothiophen-4-yl-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
CID 53270113
(4S)-5,5-dimethyl-2-(4-methylphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 11837459
(4S)-5,5-dimethyl-2-[4-(methylamino)phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 164880456
(3R,4S)-4-(1H-indol-3-yl)-2-oxopyrrolidine-3-carboxylic acid
CID 15516005
(4S)-2-[4-(1,3-dihydroisoindol-2-yl)phenyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
CID 164880503
1-amino-2-(1H-indol-3-yl)cyclohexane-1-carboxylic acid
CID 91316564
2-[5-(2,3-dichlorophenyl)furan-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
CID 53270491
2-(1H-indol-3-yl)-1,3-thiazolidine
CID 3043139
2-[5-(4-ethoxycarbonylphenyl)furan-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
CID 53270579
2,3-bis(1H-indol-3-yl)but-2-enedioic acid
CID 57224094

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-(1H-indol-3-yl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (2S,4S)-2-(1H-indol-3-yl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid (CID 7200617) is (2S,4S)-2-(1H-indol-3-yl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (2S,4S)-2-(1H-indol-3-yl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (2S,4S)-2-(1H-indol-3-yl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid is CC1(C)S[C@@H](c2c[nH]c3ccccc23)N[C@H]1C(=O)O.
What is the InChIKey of (2S,4S)-2-(1H-indol-3-yl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is RMWNKAGJAGUZQL-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-14(2)11(13(17)18)16-12(19-14)9-7-15-10-6-4-3-5-8(9)10/h3-7,11-12,15-16H,1-2H3,(H,17,18)/t11-,12-/m0/s1.
What are the key properties of (2S,4S)-2-(1H-indol-3-yl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid?
(2S,4S)-2-(1H-indol-3-yl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 276.36 g/mol, XLogP of 2.73, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-(1H-indol-3-yl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 7200617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).